BDBM50367755 CHEMBL2369567

SMILES: C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=ZKQVUAQXZFWAMU-RNFRHYDVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50367755   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
IgA protease (Neisseria gonorrhoeae)	BDBM50367755 (CHEMBL2369567) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C70H108N18O24S2/c1-35(93)53(73-37(3)95)69(111)87-27-11-19-51(87)67(109)85-25-9-17-49(85)61(103)79-43(65(107)83-23-7-15-47(83)59(101)77-41(31-91)63(105)81-21-5-13-45(81)57(99)75-39(29-89)55(71)97)33-113-114-34-44(80-62(104)50-18-10-26-86(50)68(110)52-20-12-28-88(52)70(112)54(36(2)94)74-38(4)96)66(108)84-24-8-16-48(84)60(102)78-42(32-92)64(106)82-22-6-14-46(82)58(100)76-40(30-90)56(72)98/h35-36,39-54,89-94H,5-34H2,1-4H3,(H2,71,97)(H2,72,98)(H,73,95)(H,74,96)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,103)(H,80,104)/t35-,36-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Tested for inhibitory activity against IgA1 proteinase assayed in 40% TFE				J Med Chem 31: 1647-51 (1988) BindingDB Entry DOI: 10.7270/Q2S46SKJ
					More data for this Ligand-Target Pair
IgA protease (Neisseria gonorrhoeae)	BDBM50367755 (CHEMBL2369567) Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C70H108N18O24S2/c1-35(93)53(73-37(3)95)69(111)87-27-11-19-51(87)67(109)85-25-9-17-49(85)61(103)79-43(65(107)83-23-7-15-47(83)59(101)77-41(31-91)63(105)81-21-5-13-45(81)57(99)75-39(29-89)55(71)97)33-113-114-34-44(80-62(104)50-18-10-26-86(50)68(110)52-20-12-28-88(52)70(112)54(36(2)94)74-38(4)96)66(108)84-24-8-16-48(84)60(102)78-42(32-92)64(106)82-22-6-14-46(82)58(100)76-40(30-90)56(72)98/h35-36,39-54,89-94H,5-34H2,1-4H3,(H2,71,97)(H2,72,98)(H,73,95)(H,74,96)(H,75,99)(H,76,100)(H,77,101)(H,78,102)(H,79,103)(H,80,104)/t35-,36-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Tested for inhibitory activity against IgA1 proteinase in 40% TFE				J Med Chem 31: 1647-51 (1988) BindingDB Entry DOI: 10.7270/Q2S46SKJ
					More data for this Ligand-Target Pair